Molcontroller: A VMD Graphical User Interface Featuring Molecule Manipulation
Visual Molecular Dynamics (VMD) is one of the most widely used molecular graphics software in the community of theoretical simulations. So far, however, it still lacks a graphical user interface (GUI) for molecular manipulations when doing some modeling tasks. For instance, translation or rotation o...
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| Vydáno v: | Journal of chemical information and modeling Ročník 60; číslo 10; s. 5126 |
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| Hlavní autoři: | , , , |
| Médium: | Journal Article |
| Jazyk: | angličtina |
| Vydáno: |
United States
26.10.2020
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| ISSN: | 1549-960X, 1549-960X |
| On-line přístup: | Zjistit podrobnosti o přístupu |
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| Shrnutí: | Visual Molecular Dynamics (VMD) is one of the most widely used molecular graphics software in the community of theoretical simulations. So far, however, it still lacks a graphical user interface (GUI) for molecular manipulations when doing some modeling tasks. For instance, translation or rotation of a selected molecule(s) or part(s) of a molecule currently only can be achieved using
scripts. Here, we use the
toolkit to develop a user-friendly GUI for VMD, named
, which is featured by allowing users to quickly and conveniently perform various molecular manipulations. This GUI might be helpful for improving the modeling efficiency of VMD users. |
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| Bibliografie: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
| ISSN: | 1549-960X 1549-960X |
| DOI: | 10.1021/acs.jcim.0c00754 |